Geometry & MOs

Info

ID:	347321
PubChem CID:	127272160
Reduced:	SO3N5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-112.0
Dipole, Da:	2.96
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrimidin-5-yl)-3-[1-(cyclopentylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)NCCN2CCCS2(=O)=O

DOS

IR

Vibrations